SCHEMBL9828818

SCHEMBL9828818

CC(=O)CNC1(c2ccc(OC(C)=O)cc2)Sc2ccccc2N(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.41
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 1/20 0.35
KIF11 P52732 1/20 0.35
GAA P10253 2/20 0.34
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9831997 0.88 BCHE (0.44) BCHEMAPTALDH1A1PKMMEN1
SCHEMBL9831087 0.87 CNR1 (0.37) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL9830507 0.82 NQO2 (0.39) BCHEMAPTALDH1A1PKMMEN1
SCHEMBL9829068 0.80 MEN1 (0.33) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL9829070 0.78 PDE3B (0.36) MAPT
SCHEMBL9829616 0.77 BCHE (0.44) BCHEMAPTALDH1A1PKMMEN1
SCHEMBL9828823 0.74 BCHE (0.42) BCHEMAPTALDH1A1PKMMEN1
SCHEMBL9828953 0.71 CNR1 (0.42) BCHEMAPTALDH1A1PKMHTT
SCHEMBL7114679 0.69 BCHE (0.41) BCHEMAPTALDH1A1MEN1KMT2A
SCHEMBL11929623 0.69 MAPT (0.56) BCHEMAPTALDH1A1PKMHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233291-B1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP disclosed
US-4739050-A CALCIUM ANTAGONIST, ANTICOAGULANT SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0233291-A1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-08-26 EP disclosed